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- W4376855209 abstract "Recently, we often hear the terms “materials informatics” used in a variety of contexts. It is talked about like a dream technology in which artificial intelligence finds new materials, but the kernel part of the technology is a rather boring black box that just calculates the energy value for a given arrangement of atomic positions. This is where the confusion arises for the beginners. Though they are motivated by hearing that it can simulate fascinating physical properties, what they find in the textbook is how to calculate energies and bands which never seem what they want to do (Fig. 1.1). The primary purpose of this chapter is to dispel the sense of bewilderment that reduces such motivation. We will first look at how the reader’s “final goal” (metaphorically speaking, the ridge trail in mountain climbing) and the “initial things to learn” (the boring forest before getting to the ridge trail) are connected. The “boring things” are to learn the input specification to be given to the boring black box. We will give explanations that will allow the readers to tackle this course with ease/confidence from Chap. 2 onward. In addition, by explaining further goal to aim at after mastering this book, we describe why command line usage is necessary, narrowing down the technical policies employed in this book." @default.
- W4376855209 created "2023-05-18" @default.
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- W4376855209 date "2023-01-01" @default.
- W4376855209 modified "2023-09-28" @default.
- W4376855209 title "Introduction" @default.
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- W4376855209 doi "https://doi.org/10.1007/978-981-99-0919-3_1" @default.
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